Reappraisal of cis effect in 1,2-dihaloethenes: An improved virtual orbital multireference approach

Journal of Chemical Physics

Volumn 129, Issue 6, 2008, Pages

  Chaudhuri, Rajat K ^a   Hammond, Jeff R ^b,c   Freed, Karl F ^b,c   Chattopadhyay, Sudip ^d   Mahapatra, Uttam Sinha ^e  

^a INDIAN INSTITUTE OF ASTROPHYSICS   (India)

^b UNIVERSITY OF CHICAGO   (United States)

^c UNIVERSITY OF CHICAGO   (United States)

^d INDIAN INSTITUTE OF ENGINEERING SCIENCE AND TECHNOLOGY   (India)

^e TAKI GOVERNMENT COLLEGE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

FORECASTING; HARDNESS; ISOMERIZATION; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; REACTION KINETICS;

CHEMICAL HARDNESS; CIS-TRANS ISOMERIZATION; DICHLOROETHENE; DICHLOROETHENE ISOMERS; ELECTROPHILICITY; GROUND-STATE ENERGIES; HARTREE-FOCK ORBITALS; MAXIMUM HARDNESS; ORBITALS; PERTURBATION THEORY; POTENTIAL ENERGY CURVES; RELATIVE STABILITIES; TRANS ISOMERS;

ISOMERS;

EID: 49849104332     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2958284     Document Type: Article

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